Structure

InChI Key CETWSOHVEGTIBR-FORAGAHYSA-N
Smile CS(=O)(=O)O.CS(=O)(=O)O.C[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN
InChI
InChI=1S/C15H25N3O.2CH4O3S/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16;2*1-5(2,3)4/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19);2*1H3,(H,2,3,4)/t12-,14-;;/m0../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H33N3O7S2
Molecular Weight 455.6
AlogP 1.19
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 81.14
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 19.0

Pharmacology

Action Mechanism of Action Reference
RELEASING AGENT Dopamine transporter releasing agent DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Attention Deficit Disorder with Hyperactivity 4 D001289 ClinicalTrials
Depressive Disorder, Major 3 D003865 ClinicalTrials
Schizophrenia 3 D012559 ClinicalTrials
Feeding and Eating Disorders 3 D001068 ClinicalTrials
Obesity 2 D009765 ClinicalTrials
Sleep Initiation and Maintenance Disorders 2 D007319 ClinicalTrials
Bulimia Nervosa 2 D052018 ClinicalTrials

Related Entries

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Psychiatric disorders
23.4
General disorders and administration site conditions
19.76
Nervous system disorders
13.74
Injury, poisoning and procedural complications
8.91
Product issues
4.8
Gastrointestinal disorders
4.09
Skin and subcutaneous tissue disorders
3.11
Metabolism and nutrition disorders
3.04
Cardiac disorders
2.83
Investigations
2.83
Vascular disorders
2.66

Cross References

Resources Reference
ChEMBL CHEMBL1201178
EPA CompTox DTXSID60209653
FDA SRS SJT761GEGS
PharmGKB PA164748975
PubChem 11597697
SureChEMBL SCHEMBL678421